0 B12R1.37 CCCCCCCC1OCCO1 Molport-006-116-145 [0,0,0,0,0,0|1,0,3]=4 1 B12R1.37 CCCCCCCn1ccnc1 Molport-020-575-676 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.37 NCCCCCCn1ccnc1 Molport-003-758-522 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.4 CCCCCCc1nccs1 Molport-047-606-547 [1,0,0,0,0,0|1,1,0]=3 4 B11R1.4 CCCCCCn1ccnc1 Molport-002-497-166 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.27 CCCCCCCc1csc(n1)N Molport-022-880-034 [0,1,0,0,0,0|2,0,0]=3 6 B13R1.119 CCCCCCCCc1ncc[nH]1 Molport-051-892-832 [0,1,0,0,0,0|2,0,0]=3 7 B13R1.119 CCCCCCCCn1ccnc1 Molport-003-938-889 [0,1,0,0,0,0|3,0,0]=4 8 B13R2.18 NC1CCCCC1n2cccn2 Molport-003-762-594 [0,0,0,1,0,0|3,0,0]=4 9 B13R2.18 OC1CCCCC1c2ccco2 Molport-020-006-817 [0,0,0,1,0,0|1,0,0]=2 10 B13R2.18 OC1CCCCC1c2cccs2 Molport-002-498-469 [0,0,0,1,0,0|1,1,0]=3 11 B13R2.18 OC1CCCCC1n2cccn2 Molport-013-042-431 [0,0,0,1,0,0|3,0,0]=4 12 B13R2.29 NC1CCCC1Cc2ccco2 Molport-001-786-833 [0,0,0,1,0,0|1,0,0]=2 13 B13R2.64 C(C1CCCCC1)n2ccnc2 Molport-020-340-876 [0,0,0,1,0,0|3,0,0]=4 14 B13R2.64 C(C1CCCNC1)c2c[nH]cn2 Molport-051-989-599 [0,0,0,1,0,0|3,0,0]=4 15 B13R2.64 C(C1CCCNC1)c2nccs2 Molport-003-738-720 [0,0,0,1,0,0|2,1,0]=4 16 B13R2.64 C(C1CCNCC1)c2c[nH]cn2 Molport-003-983-597 [0,0,0,1,0,0|3,0,0]=4 17 B13R2.64 C(C1CCNCC1)c2cnc[nH]2 Molport-046-588-828 [0,0,0,1,0,0|3,0,0]=4 18 B13R2.64 C(C1CCNCC1)c2ncc[nH]2 Molport-038-948-257 [0,0,0,1,0,0|3,0,0]=4 19 B13R2.64 C(C1CCNCC1)c2nccs2 Molport-003-738-700 [0,0,0,1,0,0|2,1,0]=4 20 B13R2.183 C(NC1CCCC1)c2ccco2 Molport-000-892-196 [0,0,0,1,0,0|1,0,0]=2 21 B13R2.183 C(NC1CCCC1)c2ccco2 Molport-047-358-853 [0,0,0,1,0,0|1,0,0]=2 22 B13R2.183 C(NC1CCCC1)c2ccoc2 Molport-051-773-666 [0,0,0,1,0,0|3,0,0]=4 23 B13R2.183 C(NC1CCCC1)c2cncs2 Molport-051-774-031 [0,0,0,1,0,0|2,1,0]=4 24 B13R2.292 CCCC1NCCn2c1ccc2 Molport-001-979-968 [0,0,0,1,0,0|3,0,0]=4 25 B13R2.292 CCCC1NCCn2c1ccc2 Molport-047-715-552 [0,0,0,1,0,0|3,0,0]=4 26 B13R2.292 CNCC1OCCc2c1ccs2 Molport-044-614-789 [0,0,0,1,0,0|2,1,0]=4 27 B14R1.128 CN(C)CCCNCc1ccc(o1)C Molport-001-591-625 [0,2,0,0,0,0|2,0,0]=4 28 B14R1.128 CN(C)CCCNCc1ccc(o1)C Molport-001-607-336 [0,2,0,0,0,0|2,0,0]=4 29 B12R2.2 C1CCC(CC1)c2c[nH]cn2 Molport-047-869-177 [1,0,0,1,0,0|2,0,0]=4 30 B12R2.2 C1CCC(CC1)c2ccn[nH]2 Molport-036-186-632 [1,0,0,1,0,0|2,0,0]=4 31 B12R2.2 C1CCC(CC1)c2cnco2 Molport-037-912-626 [1,0,0,1,0,0|1,0,0]=3 32 B12R2.2 C1CCC(CC1)c2ncc[nH]2 Molport-022-098-296 [1,0,0,1,0,0|2,0,0]=4 33 B12R2.2 C1CCC(CC1)n2cccc2 Molport-011-016-343 [1,0,0,1,0,0|2,0,0]=4 34 B12R2.98 C([C@@H]1CCCN1)c2cccs2 Molport-046-147-516 [1,0,0,1,0,0|1,1,0]=4 35 B12R2.98 C([C@H]1CCCN1)c2cccs2 Molport-046-147-518 [1,0,0,1,0,0|1,1,0]=4 36 B12R2.315 CCC1NCCc2c1ccs2 Molport-002-026-705 [1,0,0,1,0,0|1,1,0]=4 37 B12R2.315 CCC1NCCc2c1ccs2 Molport-003-255-463 [1,0,0,1,0,0|1,1,0]=4 38 B12R2.382 C1CCCc2sncc2CC1 Molport-051-903-492 [1,0,0,1,0,0|1,1,0]=4 39 B12R2.2383 C(OCc1ccco1)C2CO2 Molport-001-792-206 [1,0,0,1,0,0|2,0,0]=4 40 B14R2.3 CCCNC1CCc2c1cccc2 Molport-004-331-801 [0,0,0,1,0,1|2,0,0]=4 41 B14R2.6 C(C1CCCCC1)c2ccncc2 Molport-000-165-639 [0,0,0,1,0,1|1,0,0]=3 42 B14R2.6 C(C1CCCCC1)c2cnccn2 Molport-006-125-520 [0,0,0,1,0,1|1,0,0]=3 43 B14R2.6 C(C1CCCNC1)c2cnccn2 Molport-020-264-386 [0,0,0,1,0,1|2,0,0]=4 44 B14R2.6 C(C1CCNCC1)c2cnccn2 Molport-020-264-385 [0,0,0,1,0,1|2,0,0]=4 45 B14R2.6 C1CCC(CC1)Nc2ccccc2 Molport-000-002-847 [0,0,0,1,0,1|2,0,0]=4 46 B14R2.6 C1CCC(CC1)Nc2ccccc2 Molport-001-756-925 [0,0,0,1,0,1|2,0,0]=4 47 B14R2.6 C1CCC(CC1)Nc2ccccn2 Molport-001-798-151 [0,0,0,1,0,1|2,0,0]=4 48 B14R2.6 C1CCC(CC1)Nc2ccncc2 Molport-001-840-192 [0,0,0,1,0,1|2,0,0]=4 49 B14R2.6 C1CCC(CC1)Nc2ncccn2 Molport-005-213-619 [0,0,0,1,0,1|2,0,0]=4 50 B14R2.6 C1CCC(CC1)Oc2ccccc2 Molport-000-880-855 [0,0,0,1,0,1|2,0,0]=4 51 B14R2.6 C1CCC(CC1)Oc2ncccn2 Molport-044-546-330 [0,0,0,1,0,1|2,0,0]=4 52 B14R2.14 CCC1CNCC1c2ccccc2 Molport-051-782-755 [0,0,0,1,0,1|2,0,0]=4 53 B14R2.14 CCN1CCCC1c2cccnc2 Molport-003-847-296 [0,0,0,1,0,1|2,0,0]=4 54 B14R2.14 CNC1CCCC1c2ccccc2 Molport-013-899-827 [0,0,0,1,0,1|2,0,0]=4 55 B14R2.14 NCC1CCCC1c2ccccc2 Molport-023-925-561 [0,0,0,1,0,1|2,0,0]=4 56 B14R2.14 NCC1CCCC1c2ccccc2 Molport-039-239-933 [0,0,0,1,0,1|2,0,0]=4 57 B14R2.24 NC1CCCCC1c2ccccc2 Molport-046-511-070 [0,0,0,1,0,1|2,0,0]=4 58 B14R2.24 N[C@@H]1CCCC[C@H]1c2ccccc2 Molport-027-807-729 [0,0,0,1,0,1|2,0,0]=4 59 B14R2.24 N[C@@H]1CCCC[C@H]1c2ccccc2 Molport-051-770-471 [0,0,0,1,0,1|2,0,0]=4 60 B14R2.24 OC1CCCCC1c2ccccn2 Molport-002-361-415 [0,0,0,1,0,1|2,0,0]=4 61 B14R2.24 O[C@@H]1CCCC[C@H]1c2cccnc2 Molport-035-749-146 [0,0,0,1,0,1|2,0,0]=4 62 B14R2.24 O[C@H]1CCCC[C@H]1c2cccnc2 Molport-035-749-090 [0,0,0,1,0,1|2,0,0]=4 63 B14R2.30 NC1CCCC1Cc2ccccn2 Molport-022-459-797 [0,0,0,1,0,1|2,0,0]=4 64 B14R2.101 C(Cc1ccccc1)C2CCCN2 Molport-001-760-075 [0,0,0,1,0,1|2,0,0]=4 65 B14R2.101 C(Cc1ccccc1)C2CCCN2 Molport-009-168-939 [0,0,0,1,0,1|2,0,0]=4 66 B14R2.101 C(Cc1ccccc1)C2CCNC2 Molport-001-760-096 [0,0,0,1,0,1|2,0,0]=4 67 B14R2.101 C(Cc1ccccn1)[C@H]2CCCN2 Molport-046-147-158 [0,0,0,1,0,1|2,0,0]=4 68 B14R2.101 C(Cc1ccncc1)N2CCCC2 Molport-000-145-638 [0,0,0,1,0,1|2,0,0]=4 69 B14R2.101 C(Cc1ccncc1)[C@H]2CCCN2 Molport-047-358-519 [0,0,0,1,0,1|2,0,0]=4 70 B14R2.101 C(NC1CCCC1)c2ccccc2 Molport-000-900-590 [0,0,0,1,0,1|2,0,0]=4 71 B14R2.101 C(NC1CCCC1)c2ccccc2 Molport-004-896-235 [0,0,0,1,0,1|2,0,0]=4 72 B14R2.101 C(NC1CCCC1)c2cccnc2 Molport-000-934-485 [0,0,0,1,0,1|2,0,0]=4 73 B14R2.101 C(NC1CCCC1)c2cccnc2 Molport-006-704-290 [0,0,0,1,0,1|2,0,0]=4 74 B14R2.101 C(NC1CCCC1)c2ccncc2 Molport-000-934-484 [0,0,0,1,0,1|2,0,0]=4 75 B14R2.101 C(NC1CCCC1)c2ccncc2 Molport-006-839-092 [0,0,0,1,0,1|2,0,0]=4 76 B14R2.101 C(OC1CCCC1)c2ccccc2 Molport-015-143-668 [0,0,0,1,0,1|2,0,0]=4 77 B14R2.101 C(Oc1cnccn1)C2CCCC2 Molport-044-808-822 [0,0,0,1,0,1|2,0,0]=4 78 B14R2.101 C(Oc1ncccn1)C2CCCC2 Molport-044-808-823 [0,0,0,1,0,1|2,0,0]=4 79 B14R2.2014 NCC1CCCCc2c1cccc2 Molport-051-780-759 [0,0,0,1,0,1|2,0,0]=4 80 B14R2.2014 OCC1CCCCc2c1cccc2 Molport-027-471-413 [0,0,0,1,0,1|2,0,0]=4 81 B14R2.2839 C1CCNCc2ccccc2CC1 Molport-046-646-854 [0,0,0,1,0,1|2,0,0]=4 82 B14R2.7150 CCCN1CCCc2c1cccc2 Molport-047-118-564 [0,0,0,1,0,1|2,0,0]=4 83 B14R2.7150 CCNC1CCCc2c1nccc2 Molport-026-973-200 [0,0,0,1,0,1|2,0,0]=4 84 B14R2.7150 OCCC1CCCc2c1cccc2 Molport-006-135-904 [0,0,0,1,0,1|2,0,0]=4 85 B14R2.19 Nc1cc(n[nH]1)CC2CCCCC2 Molport-007-991-666 [0,1,0,1,0,0|2,0,0]=4 86 B14R2.19 Nc1cc(no1)CC2CCCCC2 Molport-011-491-168 [0,1,0,1,0,0|2,0,0]=4 87 B14R2.19 Nc1ccn(n1)CC2CCCCC2 Molport-009-017-343 [0,1,0,1,0,0|2,0,0]=4 88 B14R2.19 Nc1cnn(c1)CC2CCCCC2 Molport-004-358-583 [0,1,0,1,0,0|2,0,0]=4 89 B14R2.19 Nc1nnc(o1)CC2CCCCC2 Molport-006-017-791 [0,1,0,1,0,0|2,0,0]=4 90 B14R2.19 Oc1cnn(c1)CC2CCCCC2 Molport-031-658-946 [0,1,0,1,0,0|2,0,0]=4 91 B14R2.252 Cc1ccc(o1)CNC2CCCC2 Molport-001-607-335 [0,1,0,1,0,0|1,0,0]=3 92 B14R2.252 Cc1ccc(o1)CNC2CCCC2 Molport-001-626-668 [0,1,0,1,0,0|1,0,0]=3 93 B14R2.259 Cc1cc(on1)CC2CCCC2N Molport-008-269-736 [0,1,0,1,0,0|2,0,0]=4 94 B14R2.4359 Nc1cc([nH]n1)C2CCCCCC2 Molport-020-167-255 [0,1,0,1,0,0|2,0,0]=4 95 B14R2.4359 Nc1cc(no1)C2CCCCCC2 Molport-013-876-604 [0,1,0,1,0,0|2,0,0]=4 96 B14R2.4359 Nc1nc(cs1)C2CCCCCC2 Molport-031-536-433 [0,1,0,1,0,0|2,0,0]=4 97 B14R2.114 NC(C1CCCCC1)c2cccs2 Molport-029-997-672 [0,1,0,1,0,0|0,1,0]=3 98 B14R2.114 O=C(C1CCCCC1)c2cccs2 Molport-002-895-770 [0,1,0,1,0,0|0,1,1]=4 99 B14R2.114 O=C(C1CCCCC1)c2ncco2 Molport-023-214-656 [0,1,0,1,0,0|1,0,1]=4 100 B14R2.114 OC(C1CCCCC1)c2ncc[nH]2 Molport-026-973-407 [0,1,0,1,0,0|2,0,0]=4 101 B14R2.308 OC(C1CCCC1O)c2ccco2 Molport-035-924-126 [0,1,0,1,0,0|1,0,0]=3 102 B14R2.793 O=C(CC1CCCN1)c2ccco2 Molport-023-181-292 [0,1,0,1,0,0|1,0,1]=4 103 B14R2.793 OC(CC1CCCN1)c2ccco2 Molport-023-188-750 [0,1,0,1,0,0|1,0,0]=3 104 B14R2.793 OC(CC1CCCN1)c2cccs2 Molport-023-182-541 [0,1,0,1,0,0|1,1,0]=4 105 B14R2.50 NC1CCCCC1Cc2ccco2 Molport-001-782-658 [0,1,0,1,0,0|0,0,0]=2 106 B14R2.245 NCCN1CCCC1c2ccco2 Molport-004-853-642 [0,1,0,1,0,0|1,0,0]=3 107 B14R2.322 C(CC1CCCN1)Cn2cccn2 Molport-004-853-639 [0,1,0,1,0,0|2,0,0]=4 108 B14R2.322 C(NCc1ccco1)C2CCCO2 Molport-000-741-653 [0,1,0,1,0,0|1,0,0]=3 109 B14R2.322 C(NCc1ccco1)C2CCCO2 Molport-000-892-242 [0,1,0,1,0,0|1,0,0]=3 110 B14R2.384 Cn1cccc1CNC2CCCC2 Molport-000-863-779 [0,1,0,1,0,0|2,0,0]=4 111 B14R2.384 Cn1cccc1CNC2CCCC2 Molport-046-863-882 [0,1,0,1,0,0|2,0,0]=4 112 B14R2.892 CCCCC1NCCc2c1[nH]cn2 Molport-046-594-564 [0,1,0,1,0,0|2,0,0]=4 113 B14R2.124 CN1CC(C(C1)c2ccco2)CN Molport-022-160-374 [0,1,0,1,0,0|2,0,0]=4 114 B14R2.5543 OC1(CCCCC1)Cc2cc[nH]n2 Molport-002-538-494 [0,1,0,1,0,0|2,0,0]=4 115 B14R2.5543 OC1(CCCCC1)Cn2cccn2 Molport-026-749-780 [0,1,0,1,0,0|2,0,0]=4 116 B14R3.2915 C1CC2(C1CCN2)c3cccs3 Molport-042-621-859 [0,0,0,2,0,0|1,1,0]=4 117 B14R3.3046 C1CC2N(C1)CCc3c2ccs3 Molport-051-773-320 [0,0,0,2,0,0|1,1,0]=4 118 B14R3.14827 C1CC2(C1)CNC2c3ccco3 Molport-039-240-276 [0,0,0,2,0,0|1,0,0]=3 119 B14R3.3044 C1CC1C2NCCc3c2ccs3 Molport-002-026-706 [0,0,0,2,0,0|1,1,0]=4